Structure of IDP95436

Crystal structure structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in abortive complex with sisomicin-CoA

Edit deposit information
CSGID target
IDP95436 
PDB Id
6MN2 (NCBI MMDB
Authors
'P.J.Stogios,T.Skarina,K.Michalska,Z.Xu,V.Yim,A.Savchenko,A.Joachimiak,K.J.Satchell,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Peter Stogios 
Responsible lab
University of Calgary 
Deposition Date
Oct 01, 2018 
Release Date
Oct 24, 2018 

Annotation

Ligands

Ligand code Name Ligand type
COA coenzyme A biological
SIS sisomicin biological
CL unknown crystallization
PEG polyethylene glycol crystallization
SO4 sulfate molecule crystallization

Structure information

Unit cell parameters

Space Group
P 31 2 1  
Unit Cell

a=127.75Å, b=127.75Å, c=95.11Å
α=90.00, β=90.00, γ=120.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.20-2.74Å (2.80-2.74Å)  
Rall(%)
25.0 
Rwork(%)
24.9 (36.4) 
Rfree(%)
27.0 (38.3) 
Num. observed reflections
47557 (2674) 
Num. Rfree reflections
2382 (140) 
Completeness(%)
99.8 (99.0) 

Model parameters

Num Atoms
3987  
Num Waters
120  
Num Hetatoms
305  
Model mean isotropic B factor
52.640Å2  
RMSD bond length
0.015Å  
RMSD bond angle
1.086°  
RMSD dihedral angle
23.373°
 
Filename uploaded
6mn2.pdb (uploaded on Oct 25, 2018 9:31 AM)  
Inserted
Oct 25, 2018